(2S,3R)-3-bromobutan-2-amine

C4H10BrN — CID 13495075

IUPAC(2S,3R)-3-bromobutan-2-amine
SMILESC[C@H](N)[C@@H](C)Br
InChIInChI=1S/C4H10BrN/c1-3(5)4(2)6/h3-4H,6H2,1-2H3/t3-,4+/m1/s1
InChIKeyINJIQMGWSVPZFJ-DMTCNVIQSA-N
MW152.03 g/mol
LogP1.12
Rot. Bonds1

About (2S,3R)-3-bromobutan-2-amine

(2S,3R)-3-bromobutan-2-amine (PubChem CID 13495075) has the molecular formula C4H10BrN and a molecular weight of 152.03 g/mol. Its IUPAC name is (2S,3R)-3-bromobutan-2-amine.

Molecular Properties

Compound Name(2S,3R)-3-bromobutan-2-amine
PubChem CID13495075
Molecular FormulaC4H10BrN
Molecular Weight152.03 g/mol
Exact Mass151.00
IUPAC Name(2S,3R)-3-bromobutan-2-amine
SMILESC[C@H](N)[C@@H](C)Br
InChIInChI=1S/C4H10BrN/c1-3(5)4(2)6/h3-4H,6H2,1-2H3/t3-,4+/m1/s1
InChIKeyINJIQMGWSVPZFJ-DMTCNVIQSA-N
XLogP1.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.03
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-bromopropane-1,2-diamine;hydrobromide
CID 175406855
(3R)-butane-2,3-diamine
CID 172719520
copper;bis(ethane-1,1-diamine)
CID 118678530
(2S,3S)-2,3-dibromobutane
CID 23270428
(2R,3R)-butane-2,3-diamine;dihydrochloride
CID 90474575
(2R)-propane-1,1,2-triamine
CID 164890165
(2R)-3-methylbutan-2-amine
CID 6999786
(2S)-3-methylbutan-2-amine;2-methylpropane
CID 161042679
(1S,2S)-1-iodopropane-1,2-diamine
CID 87514719
nonane-2,3,4,5,6,7,8-heptamine
CID 58672678
(2S)-3-aminobutan-2-ol
CID 90804830
(2R)-3-aminobutan-2-ol
CID 141331265

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-bromobutan-2-amine?
The IUPAC name of (2S,3R)-3-bromobutan-2-amine (CID 13495075) is (2S,3R)-3-bromobutan-2-amine.
What is the SMILES notation for (2S,3R)-3-bromobutan-2-amine?
The canonical SMILES for (2S,3R)-3-bromobutan-2-amine is C[C@H](N)[C@@H](C)Br.
What is the InChIKey of (2S,3R)-3-bromobutan-2-amine?
The InChIKey is INJIQMGWSVPZFJ-DMTCNVIQSA-N. The full InChI is InChI=1S/C4H10BrN/c1-3(5)4(2)6/h3-4H,6H2,1-2H3/t3-,4+/m1/s1.
What are the key properties of (2S,3R)-3-bromobutan-2-amine?
(2S,3R)-3-bromobutan-2-amine has a molecular weight of 152.03 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-bromobutan-2-amine is sourced from PubChem (CID 13495075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).